N-[(Z)-2-ethylbutylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-2-ethylbutylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(Z)-2-ethylbutylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-2-ethylbutylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(Z)-2-ethylbutylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(Z)-2-ethylbutylideneamino]-4-keto-phthalazine-1-carboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCC(CC)/C=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c1-3-16(4-2)14-23-24-21(27)20-18-12-8-9-13-19(18)22(28)26(25-20)15-17-10-6-5-7-11-17/h5-14,16H,3-4,15H2,1-2H3,(H,24,27)/b23-14-